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	hartrees
Energy at 0K	-303.494587
Energy at 298.15K	-303.501459
HF Energy	-302.600622
Nuclear repulsion energy	197.416153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3026	1.22
2	A	3082	2944	0.54
3	A	1575	1504	0.00
4	A	1485	1419	19.98
5	A	1275	1218	5.00
6	A	1187	1133	0.66
7	A	1126	1075	43.74
8	A	1025	979	43.20
9	A	920	879	19.82
10	A	782	747	0.05
11	A	396	379	6.64
12	B	3168	3026	48.72
13	B	3079	2941	131.09
14	B	1563	1492	4.63
15	B	1421	1357	1.79
16	B	1268	1211	7.89
17	B	1181	1128	23.22
18	B	1166	1113	198.04
19	B	1030	983	3.34
20	B	744	711	3.78
21	B	178	170	17.52

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.183
C2	0.000	1.115	0.319
C3	0.000	-1.115	0.319
O4	-0.372	-0.612	-0.942
O5	0.372	0.612	-0.942
H6	-1.002	1.559	0.281
H7	1.002	-1.559	0.281
H8	0.762	1.840	0.613
H9	-0.762	-1.840	0.613

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4113	1.4113	2.2431	2.2431	2.0615	2.0615	2.0716	2.0716
C2	1.4113		2.2308	2.1711	1.4074	1.0962	2.8564	1.0921	3.0664
C3	1.4113	2.2308		1.4074	2.1711	2.8564	1.0962	3.0664	1.0921
O4	2.2431	2.1711	1.4074		1.4331	2.5707	2.0684	3.1178	2.0195
O5	2.2431	1.4074	2.1711	1.4331		2.0684	2.5707	2.0195	3.1178
H6	2.0615	1.0962	2.8564	2.5707	2.0684		3.7067	1.8164	3.4242
H7	2.0615	2.8564	1.0962	2.0684	2.5707	3.7067		3.4242	1.8164
H8	2.0716	1.0921	3.0664	3.1178	2.0195	1.8164	3.4242		3.9833
H9	2.0716	3.0664	1.0921	2.0195	3.1178	3.4242	1.8164	3.9833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.147	O1	C2	H6	109.960
O1	C2	H8	111.048	O1	C3	O5	74.147
O1	C3	H7	109.960	O1	C3	H9	111.048
C2	O1	C3	104.429	C2	O4	O5	39.719
C3	O5	O4	39.719	O4	C2	H6	98.378
O4	C2	H8	143.550	O5	C3	H7	98.378
O5	C3	H9	143.550	H6	C2	H8	112.211
H7	C3	H9	112.211

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CCD/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H4O3 (trioxolane124)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)